2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]thio]-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-keto-2-[(2S)-2-methylpiperidino]ethyl]thio]-N-(6-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C)CC#C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C)CC#C

InChI

InChI=1S/C21H25N3O2S2/c1-4-10-24-17-9-8-15(2)12-18(17)28-21(24)22-19(25)13-27-14-20(26)23-11-6-5-7-16(23)3/h1,8-9,12,16H,5-7,10-11,13-14H2,2-3H3/t16-/m0/s1